SCHEMBL6795555

SCHEMBL6795555

CS(=O)(=O)O[C@@H](CC(N)=O)Cc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
MMP9 P14780 3/20 0.43
MMP1 P03956 1/20 0.43
MMP13 P45452 1/20 0.43
ADAM17 P78536 1/20 0.43
PPARG P37231 3/20 0.43
PPARD Q03181 3/20 0.43
PPARA Q07869 3/20 0.43
FCER2 P06734 1/20 0.41
CA2 P00918 1/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
TACR1 P25103 3/20 0.39
MAOB P27338 1/20 0.39
MMP8 P22894 1/20 0.39
TNF P01375 1/20 0.38
NR3C1 P04150 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6803288 0.90 AKR1C3 (0.41) HTR2AHTR2CHTR2BMMP9MMP1
SCHEMBL6803189 0.80 ALDH1A1 (0.41) PPARGPPARACA2
SCHEMBL27360862 0.80 KDM4E (0.40) CA2
SCHEMBL9632009 0.77 PPARG (0.56) HTR2AHTR2CHTR2BMMP9MMP1
SCHEMBL6800270 0.75 HTR2A (0.51) HTR2AHTR2CHTR2BMMP9PPARG
SCHEMBL6804161 0.75 HTR2A (0.51) HTR2AHTR2CHTR2BMMP9PPARG
SCHEMBL6802063 0.75 HTR2A (0.56) HTR2AHTR2CHTR2BPPARGPPARD
SCHEMBL6798436 0.73 ESR1 (0.43) CA2
SCHEMBL6798434 0.73 S1PR2 (0.46) HTR2AHTR2CPPARACA2
SCHEMBL15915173 0.71 CYP1A2 (0.47) HTR2AHTR2CHTR2BMMP9PPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063959-A1 Esters and amides as PLA2 inhibitors FUKAMI NAOKI (JP) 2004-04-01 US disclosed
US-20020169326-A1 Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 2002-11-14 US disclosed
EP-0854863-B1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-30 EP disclosed
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-14 US disclosed
CN-1056602-C Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2000-09-20 CN disclosed
CN-1197450-A Esters and amides as phospholipase A2 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 1998-10-28 CN disclosed
EP-0854863-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed
WO-1997003951-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040063959-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B HTR2A 1260/4885HTR2C 2386/4885HTR2B 1097/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B HTR2A 1445/4885HTR2C 2647/4885HTR2B 1206/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B HTR2A 1373/4885HTR2C 2454/4885HTR2B 1172/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.